Crystallography Open Database

Information card for entry 4322688

Preview

Coordinates	4322688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H32 Br N9 Ni2 O2 S3
Calculated formula	C84 Br4 N36 Ni8 O8 S12
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	11.709 ± 0.005 Å
b	15.1 ± 0.004 Å
c	17.548 ± 0.005 Å
α	90°
β	95.58 ± 0.03°
γ	90°
Cell volume	3087.9 ± 1.8 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.025
Goodness-of-fit parameter for significantly intense reflections	1.45
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.	4322688.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322688.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322688.cif
21574	2011-06-23	../uploads/cif-deposit/cod/cif Adding structures of 4322688 via cif-deposit CGI script.	4322688.cif