Crystallography Open Database

Information card for entry 4322586

Preview

Coordinates	4322586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H106 Fe N8 O4 S4
Calculated formula	C78 H132 Fe N8 O4 S4
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	14.477 ± 0.005 Å
b	14.4767 Å
c	35.221 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	7382 ± 3 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.0757
Goodness-of-fit parameter for significantly intense reflections	2.769
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.	4322586.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322586.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322586.cif
21448	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 4322586 via cif-deposit CGI script.	4322586.cif