Crystallography Open Database

Information card for entry 8102555

Preview

Coordinates	8102555.cif
External links	PubChem

Structure parameters

Chemical name	Hexaaqua-zinc(II) bis(citrato)borate dihydrate
Formula	C24 H40 B2 O36 Zn
Calculated formula	C24 H40 B2 O36 Zn
Title of publication	Crystal structure of hexaaquazinc(II) bis(citrato)borate dihydrate, [Zn(H2O)6][(C6H6O7)2B]2 · 2H2O
Authors of publication	Irena Zviedre; Sergey Belyakov; Inara Zarina
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	627
a	10.8691 ± 0.0002 Å
b	9.6525 ± 0.0002 Å
c	17.9549 ± 0.0003 Å
α	90°
β	103.587 ± 0.0014°
γ	90°
Cell volume	1831 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0355
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	0.825
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
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8102555.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8102555.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102555.cif
13294	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102555 via cif-deposit CGI script.	8102555.cif