Crystallography Open Database

Information card for entry 4515885

Preview

Coordinates	4515885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H36 Cl4 Co15 N2 O38 Pd9
Calculated formula	C63 H36 Cl4 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	25.9095 ± 0.0015 Å
b	12.7628 ± 0.0007 Å
c	25.9267 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	8573.4 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.118
Residual factor for significantly intense reflections	0.1166
Weighted residual factors for significantly intense reflections	0.3128
Weighted residual factors for all reflections included in the refinement	0.3135
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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.	4515885.cif