Crystallography Open Database

Information card for entry 7213627

Preview

Coordinates	7213627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H31 Cu5 N10 O16 Tb2
Calculated formula	C42 H31 Cu5 N10 O16 Tb2
Title of publication	A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties
Authors of publication	Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	4
Pages of publication	667
a	17.8782 ± 0.001 Å
b	30.743 ± 0.0018 Å
c	9.0004 ± 0.0005 Å
α	90°
β	104.069 ± 0.001°
γ	90°
Cell volume	4798.5 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0385
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0539
Weighted residual factors for all reflections included in the refinement	0.0579
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180467 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/36.	7213627.cif
105139	2014-03-11	cif/ Adding structures of 7213616, 7213617, 7213618, 7213619, 7213620, 7213621, 7213622, 7213623, 7213624, 7213625, 7213626, 7213627, 7213628 via cif-deposit CGI script.	7213627.cif