Crystallography Open Database

Information card for entry 4503691

Preview

Coordinates	4503691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 N24 O12 Zn6
Calculated formula	C36 H54 N24 O12 Zn6
Title of publication	Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks
Authors of publication	Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	10
Pages of publication	3673
a	14.966 ± 0.003 Å
b	75.384 ± 0.014 Å
c	9.813 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	11071 ± 4 Å³
Cell temperature	393 ± 2 K
Ambient diffraction temperature	393 ± 2 K
Number of distinct elements	5
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1318
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
179571 (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 4/50/36.	4503691.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503691.cif
41713	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503686, 4503687, 4503688, 4503689, 4503690, 4503691, 4503692, 4503693 via cif-deposit CGI script.	4503691.cif