Crystallography Open Database

Information card for entry 7021454

Preview

Coordinates	7021454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H76 N14 O27 Pr2
Calculated formula	C69 H76 N14 O27 Pr2
Title of publication	Systematic study on the structures of salen type lanthanide complexes tuned by lanthanide contraction and corresponding luminescence.
Authors of publication	Zou, Xiaoyan; Li, Mingjie; Yan, Pengfei; Zhang, Juwen; Hou, Guangfeng; Li, Guangming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	26
Pages of publication	9482 - 9489
a	10.0985 ± 0.001 Å
b	37.415 ± 0.004 Å
c	10.9657 ± 0.001 Å
α	90°
β	113.481 ± 0.001°
γ	90°
Cell volume	3800.1 ± 0.7 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	0.0507
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.256
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
179919 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/14.	7021454.cif
86946	2013-07-12	cif/ Adding structures of 7021452, 7021453, 7021454, 7021455, 7021456, 7021457, 7021458 via cif-deposit CGI script.	7021454.cif