Crystallography Open Database

Information card for entry 1552781

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Coordinates	1552781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H20 Co6 O16 P2
Calculated formula	C40 H20 Co6 O16 P2
Title of publication	Electron Density Analysis of Metal Clusters with Semi-Interstitial Main Group Atoms. Chemical Bonding in [Co<sub>6</sub>X(CO)<sub>16</sub>]<sup>-</sup> Species.
Authors of publication	Racioppi, S.; Della Pergola, R.; Colombo, V.; Sironi, A.; Macchi, P.
Journal of publication	The journal of physical chemistry. A
Year of publication	2018
Journal volume	122
Journal issue	22
Pages of publication	5004 - 5015
a	10.0109 ± 0.0004 Å
b	20.861 ± 0.0008 Å
c	20.4255 ± 0.0008 Å
α	90°
β	92.176 ± 0.002°
γ	90°
Cell volume	4262.5 ± 0.3 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
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	0.094
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.041
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation probe	x-ray
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
227413 (current)	2019-11-11	cif/ Adding structures of 1552781 via cif-deposit CGI script.	1552781.cif