Crystallography Open Database

Information card for entry 4500801

Preview

Coordinates	4500801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H56 N16 O16 Zn2
Calculated formula	C57 H56 N16 O16 Zn2
Title of publication	Two Porous Zinc Coordination Polymers with (10,3) Topological Features Based on a N-Centered Tripodal Ligand and the Conversion of a (10,3)-d Subnet to a (10,3)-a Subnet
Authors of publication	Yao, Xiao-Qiang; Zhang, Ming-Dao; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	7
Pages of publication	3039
a	28.33 ± 0.003 Å
b	27.766 ± 0.003 Å
c	9.9055 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	7791.8 ± 1.5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
179539 (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 4/50/08.	4500801.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500801.cif
34637	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500801, 4500802 via cif-deposit CGI script.	4500801.cif