Crystallography Open Database

Information card for entry 4515890

Preview

Coordinates	4515890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H36 Co15 O38 P2 Pd9
Calculated formula	C79 H35.9994 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	18.8375 ± 0.0014 Å
b	18.8375 ± 0.0014 Å
c	22.4956 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	6913.1 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0743
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
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.	4515890.cif