Crystallography Open Database

Information card for entry 4342061

4342060 << 4342061 >> 4342062

Preview

Coordinates	4342061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H53 B Cd2 F2 N10 O10
Calculated formula	C57 H53 B Cd2 F2 N10 O10
Title of publication	Spectroscopic and Crystallographic Investigations of Novel BODIPY-Derived Metal-Organic Frameworks.
Authors of publication	Li, Ming; Yao, Yi; Ding, Jie; Liu, Lu; Qin, Jianhua; Zhao, Yaopeng; Hou, Hongwei; Fan, Yaoting
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1346 - 1353
a	13.984 ± 0.003 Å
b	15.99 ± 0.003 Å
c	19.551 ± 0.004 Å
α	81.83 ± 0.03°
β	75.48 ± 0.03°
γ	70.58 ± 0.03°
Cell volume	3983 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1271
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.2233
Weighted residual factors for all reflections included in the refinement	0.25
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
179523 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20.	4342061.cif
132836	2015-03-04	cif/ Updating files of 4342059, 4342060, 4342061, 4342062, 4342063 Original log message: Adding full bibliography for 4342059--4342063.cif.	4342061.cif
129784	2015-01-17	cif/ Adding structures of 4342059, 4342060, 4342061, 4342062, 4342063 via cif-deposit CGI script.	4342061.cif