Crystallography Open Database

Information card for entry 7003291

Preview

Coordinates	7003291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H84 Fe2 Mo2 N4 O8
Calculated formula	C58 H84 Fe2 Mo2 N4 O8
Title of publication	Amidinate‒carboxylate complexes of dimolybdenum and ditungsten: M2(O2CR)2((NiPr)2CR′)2. Preparations, molecular and electronic structures and reactions
Authors of publication	Brown, Douglas J.; Chisholm, Malcolm H.; Gallucci, Judith C.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	12
Pages of publication	1615 - 1624
a	11.1354 ± 0.0001 Å
b	11.8625 ± 0.0001 Å
c	12.3209 ± 0.0001 Å
α	67.157 ± 0.001°
β	78.161 ± 0.001°
γ	85.503 ± 0.001°
Cell volume	1467.96 ± 0.02 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179736 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/32.	7003291.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003291.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003291.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003291.cif