Crystallography Open Database

Information card for entry 4322589

Preview

Coordinates	4322589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H64 Co F18 N6 O7 P2 S3
Calculated formula	C82 H64 Co F30 N6 O7 P2 S3
Title of publication	Novel Rubredoxin Model Tetrathiolato Iron(II) and Cobalt(II) Complexes Containing Intramolecular Single and Double NH...S Hydrogen Bonds
Authors of publication	Taka-aki Okamura; Satoshi Takamizawa; Norikazu Ueyama; Akira Nakamura
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	18 - 28
a	13.782 ± 0.005 Å
b	26.12 ± 0.007 Å
c	13.756 ± 0.004 Å
α	100.48 ± 0.03°
β	119.64 ± 0.02°
γ	94.33 ± 0.03°
Cell volume	4152 ± 3 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.0829
Goodness-of-fit parameter for significantly intense reflections	2.652
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.	4322589.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322589.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322589.cif
21451	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 4322589 via cif-deposit CGI script.	4322589.cif