Crystallography Open Database

Information card for entry 7112531

Preview

Coordinates	7112531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H33 Cd N7 O8
Calculated formula	C29 H29 Cd N7 O8
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	12.943 ± 0.004 Å
b	12.329 ± 0.003 Å
c	23.867 ± 0.005 Å
α	90°
β	108.881 ± 0.012°
γ	90°
Cell volume	3603.6 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0587
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1645
Weighted residual factors for all reflections included in the refinement	0.1723
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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.	7112531.cif
110804	2014-04-20	cif/ Adding structures of 7112531, 7112532 via cif-deposit CGI script.	7112531.cif