Crystallography Open Database

Information card for entry 4304795

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Structure parameters

Formula	C22 H52 N Ni P2 Si2
Calculated formula	C22 H52 N Ni P2 Si2
SMILES	[Ni]12[P](C[Si](N2[Si](C)(C)C[P]1(C(C)(C)C)C(C)(C)C)(C)C)(C(C)(C)C)C(C)(C)C
Title of publication	Influence of the d-Electron Count on CO Binding by Three-Coordinate [(tBu2PCH2SiMe2)2N]Fe, -Co, and -Ni
Authors of publication	Michael J. Ingleson; Benjamin C. Fullmer; Drew T. Buschhorn; Hongjun Fan; Maren Pink; John C. Huffman; Kenneth G. Caulton
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	407 - 409
a	17.206 ± 0.002 Å
b	11.5897 ± 0.0014 Å
c	29.7 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5922.5 ± 1.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0579
Weighted residual factors for all reflections included in the refinement	0.064
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
301836 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure.	4304795.cif
179085	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/47.	4304795.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304795.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304795.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304795.cif