Crystallography Open Database

Information card for entry 4503120

Preview

Coordinates	4503120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H64 Br4 Cu2 N16 O12
Calculated formula	C56 H64 Br4 Cu2 N16 O12
Title of publication	Organic−Inorganic Hybrid Aligned by the Ligand−Ligand Hydrogen Bonds by Using Pyridyl-Substituted Oxalamides as the Building Blocks
Authors of publication	Zeng, Qingdao; Li, Min; Wu, Dongxia; Lei, Shengbin; Liu, Caiming; Piao, Lingyu; Yang, Yanlian; An, Shiyan; Wang, Chen
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	3
Pages of publication	869
a	17.314 ± 0.003 Å
b	5.3628 ± 0.0011 Å
c	23.927 ± 0.007 Å
α	90°
β	133.577 ± 0.017°
γ	90°
Cell volume	1609.5 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0862
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.1344
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
179562 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/31.	4503120.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503120.cif
41362	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503120 via cif-deposit CGI script.	4503120.cif