Crystallography Open Database

Information card for entry 7114826

Preview

Coordinates	7114826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H66 Mo O4 P4 Si
Calculated formula	C64 H64 Mo O4 P4 Si
SMILES	[MoH2]1234([P@@](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1[Si]4(c1ccccc1[P@@]3(CC[P]2(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)OC(=O)C.O.O1CCCC1
Title of publication	Reactions of quadruply chelated silyl‒ and germyl‒molybdenum hydrido complexes with carboxylic acids and carbon dioxide: a first example of carbon dioxide fixation utilizing the trans effect of a silyl ligand
Authors of publication	Minato, Makoto; Zhou, Da-Yang; Sumiura, Ken-ichiro; Hirabayashi, Ryo; Yamaguchi, Yoshitaka; Ito, Takashi
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	24
Pages of publication	2654
a	23.858 ± 0.001 Å
b	12.1098 ± 0.0003 Å
c	19.5279 ± 0.0007 Å
α	90°
β	90.027 ± 0.001°
γ	90°
Cell volume	5641.9 ± 0.3 Å³
Cell temperature	298.2 K
Number of distinct elements	6
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	0.051
Weighted residual factors for significantly intense reflections	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.416
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7114826.cif
118360	2014-06-30	cif/ Adding structures of 7114826 via cif-deposit CGI script.	7114826.cif