Crystallography Open Database

Information card for entry 4344004

Preview

Coordinates	4344004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H9 B5 O15 Pr2
Calculated formula	C4 H9 B5 O15 Pr2
Title of publication	Series of SHG Materials Based on Lanthanide Borate-Acetate Mixed Anion Compounds.
Authors of publication	Yang, Hui; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	15
Pages of publication	7516 - 7523
a	10.6897 ± 0.0009 Å
b	19.9883 ± 0.0016 Å
c	6.4273 ± 0.0005 Å
α	90°
β	90.545 ± 0.008°
γ	90°
Cell volume	1373.25 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0748
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.162
Weighted residual factors for all reflections included in the refinement	0.1697
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4344004.cif
152808	2015-08-05	cif/ Updating files of 4344002, 4344003, 4344004, 4344005, 4344006, 4344007 Original log message: Adding full bibliography for 4344002--4344007.cif.	4344004.cif
152421	2015-07-23	cif/ Adding structures of 4344002, 4344003, 4344004, 4344005, 4344006, 4344007 via cif-deposit CGI script.	4344004.cif