Crystallography Open Database

Information card for entry 4342060

4342059 << 4342060 >> 4342061

Preview

Coordinates	4342060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H58 B2 Cd2 F4 N6 O11
Calculated formula	C57 H58 B2 Cd2 F4 N6 O11
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	14.1522 ± 0.0001 Å
b	21.2273 ± 0.0002 Å
c	22.7075 ± 0.0003 Å
α	90°
β	121.723 ± 0.001°
γ	90°
Cell volume	5802.48 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.182
Weighted residual factors for all reflections included in the refinement	0.1904
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
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.	4342060.cif
132836	2015-03-04	cif/ Updating files of 4342059, 4342060, 4342061, 4342062, 4342063 Original log message: Adding full bibliography for 4342059--4342063.cif.	4342060.cif
129784	2015-01-17	cif/ Adding structures of 4342059, 4342060, 4342061, 4342062, 4342063 via cif-deposit CGI script.	4342060.cif