Crystallography Open Database

Information card for entry 7112532

Preview

Coordinates	7112532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H31 Cd N7 O7
Calculated formula	C29 H29 Cd N7 O7
Title of publication	Bright blue emissions with temperature-dependent quantum yields from microporous metal-organic frameworks.
Authors of publication	Zhu, Qilong; Shen, Chaojun; Tan, Chunhong; Sheng, Tianlu; Hu, Shengmin; Wu, Xintao
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2012
Journal volume	48
Journal issue	4
Pages of publication	531 - 533
a	29.28 ± 0.02 Å
b	14.524 ± 0.01 Å
c	20.084 ± 0.015 Å
α	90°
β	115.414 ± 0.011°
γ	90°
Cell volume	7714 ± 9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1219
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.2071
Weighted residual factors for all reflections included in the refinement	0.3054
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
180239 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/25.	7112532.cif
110804	2014-04-20	cif/ Adding structures of 7112531, 7112532 via cif-deposit CGI script.	7112532.cif