Crystallography Open Database

Information card for entry 7208171

7208170 << 7208171 >> 7208172

Preview

Coordinates	7208171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H42 Co2 N6 O8
Calculated formula	C60 H42 Co2 N6 O8
Title of publication	{[Co2(ndc)2(bpee)2](bpee)}: a 3D multifunctional MOF
Authors of publication	Saha, Rajat; Kumar, Sanjay
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	15
Pages of publication	4980
a	12.228 ± 0.002 Å
b	13.654 ± 0.003 Å
c	16.958 ± 0.003 Å
α	77.04 ± 0.01°
β	71.34 ± 0.01°
γ	87.9 ± 0.01°
Cell volume	2612.3 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1045
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1348
Goodness-of-fit parameter for all reflections included in the refinement	0.811
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
180412 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/81.	7208171.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208171.cif
64211	2012-08-11	cif/ Adding structures of 7208171 via cif-deposit CGI script.	7208171.cif