Crystallography Open Database

Information card for entry 4074698

Preview

Coordinates	4074698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 Fe2 P2 Pd
Calculated formula	C40 H38 Fe2 P2 Pd
SMILES	[Pd]1([P]2([c]34[Fe]56789%10%11([cH]3[cH]5[cH]6[cH]47)[c]3([cH]8[cH]9[cH]%10[cH]%113)[P]1([c]13[Fe]456789%10([c]%112[cH]4[cH]5[cH]6[cH]7%11)[cH]1[cH]8[cH]9[cH]3%10)c1ccccc1)c1ccccc1)(C)C.c1ccccc1
Title of publication	Stereoselective Synthesis and Coordination Behavior of Phosphorus-Bridged [1.1]Ferrocenophanes
Authors of publication	Imamura, Yuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	4
Pages of publication	882
a	12.171 ± 0.0002 Å
b	15.13 ± 0.0003 Å
c	10.034 ± 0.0001 Å
α	101.117 ± 0.001°
β	110.842 ± 0.001°
γ	100.482 ± 0.001°
Cell volume	1629.97 ± 0.05 Å³
Cell temperature	200.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for all reflections included in the refinement	0.0575
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4074698.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074698.cif
48677	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074696, 4074697, 4074698, 4074699, 4074700 via cif-deposit CGI script.	4074698.cif