Crystallography Open Database

Information card for entry 1519153

1519152 << 1519153 >> 1519154

Preview

Coordinates	1519153.cif
External links	PubChem

Structure parameters

Formula	C36 H76 Co2 O18 P6 Zr
Calculated formula	C36 H76 Co2 O18 P6 Zr
Title of publication	C36H76Co2O18P6Zr
Authors of publication	Green, Malcolm L.H.; Coles, Simon J.; Hursthouse, Michael B
Journal of publication	Crystal Structure Report Archive
Year of publication	1995
Pages of publication	1203
a	12.353 ± 0.003 Å
b	12.392 ± 0.004 Å
c	18.1099 ± 0.0016 Å
α	83.286 ± 0.014°
β	82.649 ± 0.014°
γ	74.12 ± 0.012°
Cell volume	2634.8 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1038
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	0.749
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1519153.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519153.cif
135465	2015-04-30	cif/ Adding structures of 1519153 via cif-deposit CGI script.	1519153.cif