Crystallography Open Database

Information card for entry 1518480

Preview

Coordinates	1518480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H86 Cl20 F24 O16 Pd4 Sb4
Calculated formula	C64 H84 Cl16 F24 O16 Pd4 Sb4
SMILES	[Sb](F)(F)(F)(F)([F-])F.[Sb](F)(F)(F)(F)([F-])F.[Sb](F)(F)(F)(F)([F-])F.[Sb](F)(F)(F)(F)([F-])F.[Pd]1234[O]=C(OC)[C@@H]5[C@H]6[C@H]7[C@H]([Pd]89([O]=C(OC)[C@H]%10[C@@H]%11[C@H]%12[Pd]%13%14([O]=C(OC)[C@@H]%15[C@H]%16[C@H]%17[C@H]([Pd]%18%19([O]=C(OC)[C@@H]%20[C@H]%21[C@H](C[CH]3=[CH2]2)[C@H]4[C@@H]([C@@H]%20C(=[O]%18)OC)C%21)[CH2]=[CH]%19C%17)[C@@H]([C@@H]%15C(=[O]%13)OC)C%16)[CH2]=[CH]%14C[C@H]%12[C@@H](C%11)[C@H]%10C(=[O]8)OC)[CH2]=[CH]9C7)[C@@H]([C@@H]5C(=[O]1)OC)C6.ClC(Cl)C(Cl)Cl.ClC(Cl)C(Cl)Cl.ClC(Cl)C(Cl)Cl.ClC(Cl)C(Cl)Cl.[Sb](F)(F)(F)(F)([F-])F.[Sb](F)(F)(F)(F)([F-])F.[Sb](F)(F)(F)(F)([F-])F.[Sb](F)(F)(F)(F)([F-])F.[Pd]1234[O]=C(OC)[C@H]5[C@@H]6[C@@H]7[C@@H]([Pd]89([O]=C(OC)[C@@H]%10[C@H]%11[C@@H]%12[Pd]%13%14([O]=C(OC)[C@H]%15[C@@H]%16[C@@H]%17[C@@H]([Pd]%18%19([O]=C(OC)[C@H]%20[C@@H]%21[C@@H](C[CH]3=[CH2]2)[C@@H]4[C@H]([C@H]%20C(=[O]%18)OC)C%21)[CH2]=[CH]%19C%17)[C@H]([C@H]%15C(=[O]%13)OC)C%16)[CH2]=[CH]%14C[C@@H]%12[C@H](C%11)[C@@H]%10C(=[O]8)OC)[CH2]=[CH]9C7)[C@H]([C@H]5C(=[O]1)OC)C6.ClC(Cl)C(Cl)Cl.ClC(Cl)C(Cl)Cl.ClC(Cl)C(Cl)Cl.ClC(Cl)C(Cl)Cl
Title of publication	Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism
Authors of publication	Commarieu, Basile; Claverie, Jerome P.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	4
Pages of publication	2172
a	16.4284 ± 0.0014 Å
b	19.3745 ± 0.0017 Å
c	21.4447 ± 0.0019 Å
α	66.181 ± 0.002°
β	88.434 ± 0.002°
γ	72.775 ± 0.002°
Cell volume	5930.9 ± 0.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0963
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1494
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518480.cif
134905	2015-04-06	cif/ Updating files of 1518476, 1518477, 1518478, 1518479, 1518480 Original log message: Adding full bibliography for 1518476--1518480.cif.	1518480.cif
129056	2014-12-25	cif/ Adding structures of 1518476, 1518477, 1518478, 1518479, 1518480 via cif-deposit CGI script.	1518480.cif