Crystallography Open Database

Information card for entry 4342059

4342058 << 4342059 >> 4342060

Preview

Coordinates	4342059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H64 B2 F4 N6 O12 Zn2
Calculated formula	C59 H64 B2 F4 N6 O12 Zn2
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	21.5265 ± 0.0006 Å
b	20.3836 ± 0.0005 Å
c	16.0286 ± 0.0006 Å
α	90°
β	99.309 ± 0.003°
γ	90°
Cell volume	6940.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.2563
Weighted residual factors for all reflections included in the refinement	0.2801
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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.	4342059.cif
132836	2015-03-04	cif/ Updating files of 4342059, 4342060, 4342061, 4342062, 4342063 Original log message: Adding full bibliography for 4342059--4342063.cif.	4342059.cif
129784	2015-01-17	cif/ Adding structures of 4342059, 4342060, 4342061, 4342062, 4342063 via cif-deposit CGI script.	4342059.cif