Crystallography Open Database

Information card for entry 7023276

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Structure parameters

Formula	C26 H48 Br9 F6 N O16 S2 Zn5
Calculated formula	C26 H48 Br9 F6 N O16 S2 Zn5
Title of publication	The chain-like polynuclear coordination compounds (ZnBr2)n(18-crown-6)2 (n = 4, 6, 8, 10) and [Zn5Br9][N(Tf2)].
Authors of publication	Hausmann, David; Feldmann, Claus
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	37
Pages of publication	13487 - 13494
a	16.13 ± 0.003 Å
b	10.592 ± 0.002 Å
c	15.477 ± 0.003 Å
α	90°
β	102.88 ± 0.03°
γ	90°
Cell volume	2577.7 ± 0.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7023276.cif
179937	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 7/02/32.	7023276.cif
90484	2013-11-17	cif/ Adding structures of 7023272, 7023273, 7023274, 7023275, 7023276 via cif-deposit CGI script.	7023276.cif