Crystallography Open Database

Information card for entry 7202615

7202614 << 7202615 >> 7202616

Preview

Coordinates	7202615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Br2 N2 O2 Zn
Calculated formula	C36 H30 Br2 N2 O2 Zn
SMILES	C(c1cc[n](cc1)[Zn]([n]1ccc(C(c2ccccc2)(O)c2ccccc2)cc1)(Br)Br)(c1ccccc1)(O)c1ccccc1
Title of publication	Unusual hydrogen bonded (OH)4 tetrahedral nests organize zinc(ii) coordination complexes in a non covalent diamondoid network
Authors of publication	Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	4
Pages of publication	313
a	15.94 ± 0.001 Å
b	15.94 ± 0.001 Å
c	12.604 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	3202 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0237
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0404
Weighted residual factors for all reflections included in the refinement	0.0415
Goodness-of-fit parameter for all reflections included in the refinement	0.924
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
180357 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/26.	7202615.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202615.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202615.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7202615.cif