Crystallography Open Database

Information card for entry 4327573

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Coordinates	4327573.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tricarbonyl(2-pyridylbis(diphenylphosphino)methane)iron(0)
Formula	C33 H25 Fe N O3 P2
Calculated formula	C33 H25 Fe N O3 P2
SMILES	[Fe]1([P](C(c2ncccc2)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
Title of publication	Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane
Authors of publication	Joel T. Mague; Jamin L. Krinsky
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	1962 - 1971
a	9.2281 ± 0.0012 Å
b	9.304 ± 0.0019 Å
c	9.442 ± 0.0013 Å
α	114.054 ± 0.014°
β	93.112 ± 0.011°
γ	104.44 ± 0.014°
Cell volume	705.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
179378 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/75.	4327573.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327573.cif
61395	2012-07-04	cif/ Adding structures of 4327573 via cif-deposit CGI script.	4327573.cif