Crystallography Open Database

Information card for entry 7027800

Preview

Coordinates	7027800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H53 Fe N O6 P2 Pd Si
Calculated formula	C48 H39 Fe N O6 P2 Pd Si
Title of publication	Hydrocarbyl derivatives of dppm- or dppa-bridged alkoxysilyl heterobimetallic Fe‒Pd complexes and CO insertion reactions. Crystal structures of [(OC)3{(MeO)3Si}Fe(μ-dppm)Pd(8-mq)] (dppm = Ph2PCH2PPh2), [(OC)3Fe{μ-Si(OMe)2(OMe)}(μ-dppa)PdCl] and [(OC)3Fe{μ-Si(OMe)2(OMe)}(μ-dppa)PdPh] (dppa = Ph2PNHPPh2) †
Authors of publication	Braunstein, Pierre; Durand, Jérôme; Kickelbick, Guido; Knorr, Michael; Morise, Xavier; Pugin, Raphael; Tiripicchio, Antonio; Ugozzoli, Franco
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	23
Pages of publication	4175
a	11.562 ± 0.002 Å
b	21.028 ± 0.003 Å
c	18.837 ± 0.003 Å
α	90 ± 0°
β	97 ± 0.02°
γ	90 ± 0°
Cell volume	4545.6 ± 1.3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.055
Weighted residual factors for all reflections	0.075
Goodness-of-fit parameter for all reflections	0.899
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	Mokapha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7027800.cif
132089	2015-02-20	cif/ (antanas@koala.ibt.lt) Replacing '_chemical_name_systematic' tag values consisting of '.....' with a single '?'.	7027800.cif
95807	2014-01-28	cif/ Adding structures of 7027800, 7027801, 7027802 via cif-deposit CGI script.	7027800.cif