Crystallography Open Database

Information card for entry 4323190

Preview

Coordinates	4323190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H33 N7 Ni2 O3 S2
Calculated formula	C124 H132 N28 Ni8 O20 S8
Title of publication	Dinuclear Nickel(II) Complexes of an Unsymmetric "End-Off" Compartmental Ligand: Conversion of Urea into Cyanate at a Dinuclear Nickel Core
Authors of publication	Syunsuke Uozumi; Hideki Furutachi; Masaaki Ohba; Hisashi Ōkawa; David E. Fenton; Kenji Shindo; Susumu Murata; David J. Kitko
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	6281 - 6287
a	14.165 ± 0.005 Å
b	15.198 ± 0.004 Å
c	17.395 ± 0.008 Å
α	90°
β	100.62 ± 0.04°
γ	90°
Cell volume	3681 ± 2 Å³
Cell temperature	23 K
Ambient diffraction temperature	23 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 significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.1
Goodness-of-fit parameter for significantly intense reflections	5.32
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4323190.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323190.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323190.cif
22176	2011-07-04	../uploads/cif-deposit/cod/cif Adding structures of 4323190 via cif-deposit CGI script.	4323190.cif