Crystallography Open Database

Information card for entry 7028875

Preview

Coordinates	7028875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H69 Br2 Co N3 P3 Zr
Calculated formula	C42 H69 Br2 Co N3 P3 Zr
SMILES	[Zr]1234([Br][Co]1(Br)([P](N4c1cc(cc(c1)C)C)(C(C)C)C(C)C)[P](N2c1cc(cc(c1)C)C)(C(C)C)C(C)C)[P](N3c1cc(cc(c1)C)C)(C(C)C)C(C)C
Title of publication	Effect of ligand modification on the reactivity of phosphinoamide-bridged heterobimetallic Zr/Co complexes.
Authors of publication	Zhou, Wen; Saper, Noam I.; Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	5
Pages of publication	1984 - 1989
a	12.0391 ± 0.0003 Å
b	19.7151 ± 0.0005 Å
c	21.9331 ± 0.0006 Å
α	90°
β	97.684 ± 0.001°
γ	90°
Cell volume	5159.1 ± 0.2 Å³
Cell temperature	135 K
Ambient diffraction temperature	135 K
Number of distinct elements	7
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	0.044
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for all reflections	0.0713
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	0.9491
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.	7028875.cif
105450	2014-03-12	cif/ Adding structures of 7028874, 7028875 via cif-deposit CGI script.	7028875.cif