Crystallography Open Database

Information card for entry 7213616

Preview

Coordinates	7213616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H42 Cu7 N14 Nd3 O22
Calculated formula	C58 H42 Cu7 N14 Nd3 O22
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	11.9085 ± 0.0014 Å
b	17.017 ± 0.002 Å
c	17.936 ± 0.002 Å
α	74.992 ± 0.002°
β	90.255 ± 0.002°
γ	88.732 ± 0.002°
Cell volume	3509.6 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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.	7213616.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.	7213616.cif