Crystallography Open Database

Information card for entry 4062425

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Coordinates	4062425.cif

Structure parameters

Formula	C44 H76 Mo N8
Calculated formula	C44 H76 Mo N8
SMILES	c1(C(C)(C)C)n2[Mo]345([n]6n3c(cc6C(C)(C)C)C(C)(C)C)([n]2c(c1)C(C)(C)C)([n]1c(cc(C(C)(C)C)n41)C(C)(C)C)[n]1n5c(cc1C(C)(C)C)C(C)(C)C
Title of publication	Syntheses and structures of two molybdenum(IV)complexes with the ancillary ligands 3,5-dimethylpyrazole and 3,5-di-tert-butylpyrazole. Contrasting coordination modes and C-H activation in NMe2'
Authors of publication	Kerstin Most, Nadia C. Moesch-Zanetti, Denis Vidovic, Joerg Magull
Journal of publication	Organometallics
Year of publication	2003
a	24.771 ± 0.006 Å
b	11.442 ± 0.003 Å
c	20.144 ± 0.005 Å
α	90°
β	125.65 ± 0.03°
γ	90°
Cell volume	4639 ± 2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178520 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/24.	4062425.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4062425.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4062425.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	4062425.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4062425.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4062425.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4062425.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4062425.cif