Crystallography Open Database

Information card for entry 1519844

1519843 << 1519844 >> 1519845

Preview

Coordinates	1519844.cif

Structure parameters

Formula	C27 H41 Ga I3 Mo O2 P
Calculated formula	C27 H41 Ga I3 Mo O2 P
SMILES	C(#[O])[Mo]123456(C#[O])([cH]7[cH]1[cH]2[cH]3[cH]4[cH]5[cH]67)[Ga](I)(I)I.C1(CCCCC1)[PH+](C1CCCCC1)C1CCCCC1
Title of publication	(C18H34P) . (C9H7GaI3MoO2)
Authors of publication	Aldridge, Simon; Male, Louise; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2007
Pages of publication	339
a	9.2979 ± 0.0005 Å
b	18.4632 ± 0.0008 Å
c	18.9798 ± 0.0009 Å
α	90°
β	99.325 ± 0.003°
γ	90°
Cell volume	3215.2 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0947
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.1836
Weighted residual factors for all reflections included in the refinement	0.2047
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519844.cif
137146	2015-05-21	cif/ Adding structures of 1519844 via cif-deposit CGI script.	1519844.cif