Crystallography Open Database

Information card for entry 4341557

Preview

Coordinates	4341557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H85 Co N5 P3 Zr
Calculated formula	C45 H85 Co N5 P3 Zr
SMILES	[Zr]123([Co]([P](N1C(C)C)(C(C)C)C(C)C)([P](N2C(C)C)(C(C)C)C(C)C)(N3c1c(C)cc(C)cc1C)=Nc1c(C)cc(C)cc1C)N(C(C)C)P(C(C)C)C(C)C
Title of publication	Formation of Heterobimetallic Zirconium/Cobalt Diimido Complexes via a Four-Electron Transformation.
Authors of publication	Wu, Bing; Hernández Sánchez, Raúl; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	19
Pages of publication	10021 - 10023
a	18.9688 ± 0.0004 Å
b	14.0909 ± 0.0003 Å
c	20.7472 ± 0.0005 Å
α	90°
β	100.228 ± 0.001°
γ	90°
Cell volume	5457.3 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for all reflections	0.0692
Weighted residual factors for significantly intense reflections	0.0636
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4341557.cif
126713	2014-11-10	cif/ Adding structures of 4341555, 4341556, 4341557 via cif-deposit CGI script.	4341557.cif