Crystallography Open Database

Information card for entry 7208199

7208198 << 7208199 >> 7208200

Preview

Coordinates	7208199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H37 B Cd3 F5 N7 O8
Calculated formula	C42 H37 B Cd3 F5 N7 O8
Title of publication	The multifunctional roles of the ionic liquid [Bmim][BF4] in the creation of cadmium metal‒organic frameworks
Authors of publication	Xie, Zai-Lai; Feng, Mei-Ling; Tan, Bin; Huang, Xiao-Ying
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	15
Pages of publication	4894
a	20.6365 ± 0.0004 Å
b	18.1133 ± 0.0004 Å
c	12.6984 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4746.6 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	40
Hermann-Mauguin space group symbol	A m a 2
Hall space group symbol	A 2 -2a
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7208199.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208199.cif
64219	2012-08-11	cif/ Adding structures of 7208199, 7208200, 7208201 via cif-deposit CGI script.	7208199.cif