Crystallography Open Database

Information card for entry 4346943

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Coordinates	4346943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H43 Mo O11 P S4
Calculated formula	C41 H43 Mo O11 P S4
Title of publication	A Model for the Active-Site Formation Process in DMSO Reductase Family Molybdenum Enzymes Involving Oxido-Alcoholato and Oxido-Thiolato Molybdenum(VI) Core Structures.
Authors of publication	Sugimoto, Hideki; Sato, Masanori; Asano, Kaori; Suzuki, Takeyuki; Mieda, Kaoru; Ogura, Takashi; Matsumoto, Takashi; Giles, Logan J.; Pokhrel, Amrit; Kirk, Martin L.; Itoh, Shinobu
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	4
Pages of publication	1542 - 1550
a	11.0598 ± 0.0007 Å
b	16.9292 ± 0.0011 Å
c	11.8567 ± 0.0008 Å
α	90°
β	100.879 ± 0.008°
γ	90°
Cell volume	2180.1 ± 0.3 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	0.93
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
275194 (current)	2022-05-07	cif/4/34/69/ Replaced the '' sequences with backslash symbols ('\') in multiple data values in entry 4346943.	4346943.cif
232079	2019-11-23	cif/ Adding structures of 4346943 via cif-deposit CGI script.	4346943.cif