Crystallography Open Database

Information card for entry 7702557

Preview

Coordinates	7702557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46.3 Cl4 N15 Ni2 O22.65
Calculated formula	C30 H42.15 Cl4 N15 Ni2 O22.65
Title of publication	N‒N Bridged dinuclear complexes with Mn(ii), Ni(ii), Cu(ii), Zn(ii) and Cd(ii); examples with antiferromagnetic and ferromagnetic coupling
Authors of publication	Xu, Zhiqiang; Thompson, Laurence K.; Black, Daniel A.; Ralph, Corbin; Miller, David O.; Leech, Michael A.; Howard, Judith A. K.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	13
Pages of publication	2042
a	19.277 ± 0.005 Å
b	21.233 ± 0.005 Å
c	12.479 ± 0.003 Å
α	90°
β	98.2 ± 0.02°
γ	90°
Cell volume	5056 ± 2 Å³
Cell temperature	299.2 K
Ambient diffraction temperature	299.2 K
Number of distinct elements	6
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	0.1462
Residual factor for significantly intense reflections	0.11
Weighted residual factors for all reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections	4.734
Goodness-of-fit parameter for all reflections included in the refinement	5.57
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
243907 (current)	2019-11-28	cif/ Adding structures of 7702556, 7702557, 7702558, 7702559, 7702560, 7702561 via cif-deposit CGI script.	7702557.cif