Crystallography Open Database

Information card for entry 4339537

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Coordinates	4339537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 N8 W
Calculated formula	C34 H26 N8 W
SMILES	[W]1234([n]5c(N=[N]4c4c(N2c2ccccc2)cccc4)cccc5)N(c2c([N]3=Nc3[n]1cccc3)cccc2)c1ccccc1
Title of publication	Singlet diradical complexes of chromium, molybdenum, and tungsten with azo anion radical ligands from M(CO)6 precursors.
Authors of publication	Sanyal, Anasuya; Chatterjee, Sudipta; Castiñeiras, Alfonso; Sarkar, Biprajit; Singh, Priti; Fiedler, Jan; Zális, Stanislav; Kaim, Wolfgang; Goswami, Sreebrata
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	21
Pages of publication	8584 - 8593
a	10.4134 ± 0.0014 Å
b	17.031 ± 0.002 Å
c	16.337 ± 0.002 Å
α	90.058 ± 0.002°
β	104.629 ± 0.002°
γ	89.99 ± 0.002°
Cell volume	2803.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179498 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/95.	4339537.cif
117370	2014-06-14	cif/ Adding structures of 4339537 via cif-deposit CGI script.	4339537.cif