Crystallography Open Database

Information card for entry 4322253

Preview

Coordinates	4322253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H63 Mo N3 O18
Calculated formula	C15 H45 Mo N3 O18
Title of publication	Oxidations of (R3tach)M(CO)3 Complexes [M = Cr, Mo, W; R3tach = 1,3,5-Trialkyl-1,3,5-triazacyclohexane (R =t-Bu, Bn)]. Crystal Structures of (t-Bu3tach)MO3.15H2O (M = Mo, W)
Authors of publication	Murray V. Baker; Michael R. North; Brian W. Skelton; Allan H. White
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	4515 - 4521
a	21.026 ± 0.002 Å
b	21.026 ± 0.002 Å
c	13.418 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	5137.3 ± 1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.028
Weighted residual factors for all reflections	0.043
Weighted residual factors for significantly intense reflections	0.032
Goodness-of-fit parameter for all reflections	4.328
Goodness-of-fit parameter for significantly intense reflections	3.747
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4322253.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322253.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322253.cif
20524	2011-06-11	../uploads/cif-deposit/cod/cif Adding structures of 4322253 via cif-deposit CGI script.	4322253.cif