Crystallography Open Database

Information card for entry 4516462

Preview

Coordinates	4516462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H40 Cr O9 Sn2
Calculated formula	C48 H40 Cr O9 Sn2
SMILES	[Sn]([OH]C)(OC(=O)[c]12[Cr]3456([c]([cH]4[cH]26)(C(=O)O[Sn]([OH2])(c2ccccc2)(c2ccccc2)c2ccccc2)[cH]5[cH]13)(C#[O])(C#[O])C#[O])(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform
Authors of publication	Kundu, Subrata; Chandrasekhar, Vadapalli
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	11
Pages of publication	5437
a	13.193 ± 0.005 Å
b	18.567 ± 0.005 Å
c	18.021 ± 0.005 Å
α	90°
β	93.435 ± 0.005°
γ	90°
Cell volume	4406 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0385
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0633
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
231331 (current)	2019-11-22	cif/ Adding structures of 4516456, 4516457, 4516458, 4516459, 4516460, 4516461, 4516462, 4516463, 4516464 via cif-deposit CGI script.	4516462.cif