Crystallography Open Database

Information card for entry 7116267

Preview

Coordinates	7116267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H80 B2 F48 O7 Zn2
Calculated formula	C92 H80 B2 F48 O7 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	12.6592 ± 0.0005 Å
b	14.0662 ± 0.0005 Å
c	14.2052 ± 0.0005 Å
α	77.951 ± 0.003°
β	88.733 ± 0.003°
γ	85.817 ± 0.003°
Cell volume	2467.1 ± 0.16 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0773
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1595
Weighted residual factors for all reflections included in the refinement	0.176
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	7116267.cif
130930	2015-02-04	cif/ Updating files of 7116267, 7116268, 7116269 Original log message: Adding full bibliography for 7116267--7116269.cif.	7116267.cif
129364	2015-01-06	cif/ Adding structures of 7116267, 7116268, 7116269 via cif-deposit CGI script.	7116267.cif