Crystallography Open Database

Information card for entry 4515886

Preview

Coordinates	4515886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H46 Cl2 Co15 N2 O38 Pd9
Calculated formula	C68 H46 Cl2 Co15 N2 O38 Pd9
Title of publication	Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.
Authors of publication	Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano
Journal of publication	ACS omega
Year of publication	2018
Journal volume	3
Journal issue	10
Pages of publication	13239 - 13250
a	12.9658 ± 0.0007 Å
b	36.928 ± 0.002 Å
c	18.5192 ± 0.001 Å
α	90°
β	98.141 ± 0.003°
γ	90°
Cell volume	8777.7 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225976 (current)	2019-11-10	cif/ Adding structures of 4515884, 4515885, 4515886, 4515887, 4515888, 4515889, 4515890, 4515891, 4515892, 4515893, 4515894, 4515895, 4515896, 4515897 via cif-deposit CGI script.	4515886.cif