Crystallography Open Database

Information card for entry 7028874

Preview

Coordinates	7028874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H77 Co N5 O P3 Zr
Calculated formula	C46 H77 Co N5 O P3 Zr
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	22.9948 ± 0.0017 Å
b	22.4923 ± 0.0017 Å
c	19.5321 ± 0.0014 Å
α	90°
β	106.602 ± 0.004°
γ	90°
Cell volume	9681 ± 1.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
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	0.0835
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for all reflections	0.1006
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7028874.cif
105450	2014-03-12	cif/ Adding structures of 7028874, 7028875 via cif-deposit CGI script.	7028874.cif