Crystallography Open Database

Information card for entry 7116269

Preview

Coordinates	7116269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H62 B2 Cl8 F48 N6 Zn2
Calculated formula	C110 H62 B2 Cl8 F48 N6 Zn2
Title of publication	A solvated zinc analogue of the calomel-dication.
Authors of publication	Banh, Hung; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	11
Pages of publication	2170 - 2172
a	15.1012 ± 0.0005 Å
b	16.1231 ± 0.0005 Å
c	24.7275 ± 0.0007 Å
α	90°
β	102.147 ± 0.003°
γ	90°
Cell volume	5885.8 ± 0.3 Å³
Cell temperature	116 ± 2 K
Ambient diffraction temperature	116 ± 2 K
Number of distinct elements	7
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	0.1149
Residual factor for significantly intense reflections	0.0951
Weighted residual factors for significantly intense reflections	0.2819
Weighted residual factors for all reflections included in the refinement	0.3105
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180276 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/62.	7116269.cif
130930	2015-02-04	cif/ Updating files of 7116267, 7116268, 7116269 Original log message: Adding full bibliography for 7116267--7116269.cif.	7116269.cif
129364	2015-01-06	cif/ Adding structures of 7116267, 7116268, 7116269 via cif-deposit CGI script.	7116269.cif