Crystallography Open Database

Information card for entry 7112405

Preview

Coordinates	7112405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H100 As4 Mo2 N12
Calculated formula	C52 H100 As4 Mo2 N12
SMILES	[Mo]12([As](Cc3[n]2c(ccc3)C[As]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)([N]#[N][Mo]12([As](Cc3[n]2c(ccc3)C[As]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)([N]#N)[N]#N)([N]#N)[N]#N.CCCCCC
Title of publication	Preparation and reactivity of molybdenum-dinitrogen complexes bearing an arsenic-containing ANA-type pincer ligand.
Authors of publication	Tanabe, Yoshiaki; Kuriyama, Shogo; Arashiba, Kazuya; Miyake, Yoshihiro; Nakajima, Kazunari; Nishibayashi, Yoshiaki
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	81
Pages of publication	9290 - 9292
a	18.4671 ± 0.0005 Å
b	13.9179 ± 0.0004 Å
c	25.7755 ± 0.0008 Å
α	90°
β	104.882 ± 0.0008°
γ	90°
Cell volume	6402.7 ± 0.3 Å³
Cell temperature	183 K
Ambient diffraction temperature	183 K
Number of distinct elements	5
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	0.0603
Weighted residual factors for all reflections included in the refinement	0.0973
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180238 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/24.	7112405.cif
110065	2014-04-18	cif/ Adding structures of 7112404, 7112405, 7112406 via cif-deposit CGI script.	7112405.cif