Crystallography Open Database

Information card for entry 4322684

Preview

Coordinates	4322684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H57 B N4 Ni2 O6
Calculated formula	C92 B2 N8 Ni4 O12
Title of publication	Dinuclear Nickel(II) Complexes of Phenol-Based "End-Off" Compartmental Ligands and Their Urea Adducts Relevant to the Urease Active Site
Authors of publication	Takeichiro Koga; Hideki Furutachi; Takako Nakamura; Nobuo Fukita; Masaaki Ohba; Kazuhiro Takahashi; Hisashi Ōkawa
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	989 - 996
a	13.613 ± 0.003 Å
b	16.475 ± 0.004 Å
c	11.307 ± 0.004 Å
α	99.9 ± 0.02°
β	104.16 ± 0.02°
γ	109.01 ± 0.02°
Cell volume	2235.4 ± 1.2 Å³
Cell temperature	20 K
Ambient diffraction temperature	20 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.047
Goodness-of-fit parameter for significantly intense reflections	3.08
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.	4322684.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322684.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322684.cif
21570	2011-06-23	../uploads/cif-deposit/cod/cif Adding structures of 4322684 via cif-deposit CGI script.	4322684.cif