Crystallography Open Database

Information card for entry 4510165

Preview

Coordinates	4510165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H88 B18 Co O8 P3
Calculated formula	C96 H88 B18 Co O8 P3
Title of publication	Metallacarborane-Based Metal‒Organic Framework with a Complex Topology
Authors of publication	Kennedy, Robert D.; Clingerman, Daniel J.; Morris, William; Wilmer, Christopher E.; Sarjeant, Amy A.; Stern, Charlotte L.; O’Keeffe, Michael; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	1324
a	22.3221 ± 0.0004 Å
b	22.749 ± 0.0004 Å
c	22.8496 ± 0.0004 Å
α	79.364 ± 0.001°
β	73.353 ± 0.001°
γ	73.142 ± 0.001°
Cell volume	10573.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.1135
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.2234
Weighted residual factors for all reflections included in the refinement	0.2469
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179648 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/01.	4510165.cif
106385	2014-03-15	cif/ Adding structures of 4510165 via cif-deposit CGI script.	4510165.cif