Crystallography Open Database

Information card for entry 7042138

Preview

Coordinates	7042138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 As Fe N2 O4
Calculated formula	C20 H23 As Fe N2 O4
SMILES	[As]12([Fe](C#[O])(C#[O])(C#[O])C#[O])[N](=Cc3c1c(C=[N]2C(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	13.9922 ± 0.0004 Å
b	16.286 ± 0.0002 Å
c	9.5112 ± 0.0003 Å
α	90°
β	102.863 ± 0.005°
γ	90°
Cell volume	2112.99 ± 0.1 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0207
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0401
Weighted residual factors for all reflections included in the refinement	0.0421
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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.	7042138.cif
192402	2017-02-21	cif/ Adding structures of 7042129, 7042130, 7042131, 7042132, 7042133, 7042134, 7042135, 7042136, 7042137, 7042138 via cif-deposit CGI script.	7042138.cif