Crystallography Open Database

Information card for entry 7042137

Preview

Coordinates	7042137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.5 H27 As Cr N2 O5
Calculated formula	C21 H23 As Cr N2 O5
SMILES	[As]12([Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[N](=Cc3c2c(C=[N]1C(C)(C)C)ccc3)C(C)(C)C
Title of publication	A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe).
Authors of publication	Vránová, Iva; Kremláček, Vít; Erben, Milan; Turek, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; Dostál, Libor
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	11
Pages of publication	3556 - 3568
a	28.037 ± 0.0003 Å
b	9.3332 ± 0.0004 Å
c	19.4852 ± 0.0003 Å
α	90°
β	95.871 ± 0.002°
γ	90°
Cell volume	5072 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.162
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
195100 (current)	2017-04-05	cif/ Updating files of 7042129, 7042130, 7042131, 7042132, 7042133, 7042134, 7042135, 7042136, 7042137, 7042138 Original log message: Adding full bibliography for 7042129--7042138.cif.	7042137.cif
192402	2017-02-21	cif/ Adding structures of 7042129, 7042130, 7042131, 7042132, 7042133, 7042134, 7042135, 7042136, 7042137, 7042138 via cif-deposit CGI script.	7042137.cif