Crystallography Open Database

Information card for entry 4515889

Preview

Coordinates	4515889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81.5 H41 Cl5 Co15 O38 P2 Pd9
Calculated formula	C81.5 H41 Cl5 Co15 O38 P2 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	13.0138 ± 0.0007 Å
b	13.0903 ± 0.0007 Å
c	31.023 ± 0.0016 Å
α	96.767 ± 0.003°
β	99.948 ± 0.003°
γ	93.099 ± 0.003°
Cell volume	5154.2 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4515889.cif