Crystallography Open Database

Information card for entry 4322686

Preview

Coordinates	4322686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H54 B Br N4 Ni2 O5
Calculated formula	C180 B4 Br4 N16 Ni8 O20
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	15.146 ± 0.002 Å
b	9.442 ± 0.003 Å
c	30.844 ± 0.002 Å
α	90°
β	93.427 ± 0.009°
γ	90°
Cell volume	4403.1 ± 1.5 Å³
Cell temperature	20 K
Ambient diffraction temperature	20 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 significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.054
Goodness-of-fit parameter for significantly intense reflections	3.51
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.	4322686.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322686.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322686.cif
21572	2011-06-23	../uploads/cif-deposit/cod/cif Adding structures of 4322686 via cif-deposit CGI script.	4322686.cif