Crystallography Open Database

Information card for entry 1519925

1519924 << 1519925 >> 1519926

Preview

Coordinates	1519925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H56 Co7 F18 N16 O18 Si
Calculated formula	C80.04 H56.04 Co7 F18 N15.96 O18 Si
Title of publication	Double-walled pyr topology networks from a novel fluoride-bridged heptanuclear metal cluster
Authors of publication	Chen, Kai-Jie; Perry IV, John J.; Scott, Hayley S.; Yang, Qing-Yuan; Zaworotko, Michael J.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	8
Pages of publication	4784
a	24.5063 ± 0.0004 Å
b	24.5063 ± 0.0004 Å
c	24.5063 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	14717.5 ± 0.4 Å³
Cell temperature	99 ± 2 K
Ambient diffraction temperature	99 ± 2 K
Number of distinct elements	7
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.1276
Residual factor for significantly intense reflections	0.099
Weighted residual factors for significantly intense reflections	0.2948
Weighted residual factors for all reflections included in the refinement	0.3245
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1519925.cif
153072	2015-08-08	cif/ Updating files of 1519925 Original log message: Adding full bibliography for 1519925.cif.	1519925.cif
137269	2015-05-23	cif/ Adding structures of 1519925 via cif-deposit CGI script.	1519925.cif