Crystallography Open Database

Information card for entry 4510168

Preview

Coordinates	4510168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H134 B36 Co2 Cs2 O29
Calculated formula	C84 H134 B36 Co2 Cs2 O29
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	10.7991 ± 0.0005 Å
b	13.1642 ± 0.0006 Å
c	21.7471 ± 0.0009 Å
α	82.24 ± 0.002°
β	76.013 ± 0.002°
γ	76.535 ± 0.002°
Cell volume	2907.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0511
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4510168.cif
106394	2014-03-15	cif/ Adding structures of 4510168 via cif-deposit CGI script.	4510168.cif