Crystallography Open Database

Information card for entry 4083339

Preview

Coordinates	4083339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H68 N2 O2 P4 Rh2
Calculated formula	C84 H68 N2 O2 P4 Rh2
SMILES	[Rh]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[O]=C(O1)c1c2c3n([RhH2]([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)[n]4c3c1ccc4)ccc2
Title of publication	Reaction of Dinuclear Rhodium 4,5-Diazafluorenyl-9-Carboxylate Complexes with H2and CO2
Authors of publication	Annibale, Vincent T.; Song, Datong
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	11
Pages of publication	2776
a	15.0428 ± 0.0006 Å
b	15.4311 ± 0.0005 Å
c	17.7863 ± 0.0006 Å
α	74.982 ± 0.002°
β	78.3 ± 0.002°
γ	62.386 ± 0.002°
Cell volume	3516.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0497
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178722 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/33.	4083339.cif
119257	2014-07-05	cif/ Updating files of 4083337, 4083338, 4083339 Original log message: Adding full bibliography for 4083337--4083339.cif.	4083339.cif
114312	2014-05-23	cif/ Adding structures of 4083337, 4083338, 4083339 via cif-deposit CGI script.	4083339.cif