Crystallography Open Database

Information card for entry 4001629

Preview

Coordinates	4001629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 N Ni2 O11
Calculated formula	C18 H14 N Ni2 O11
Title of publication	Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units
Authors of publication	Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming
Journal of publication	Chemistry of Materials
Year of publication	2012
Journal volume	24
Journal issue	2
Pages of publication	303
a	13.5204 ± 0.0007 Å
b	10.7639 ± 0.0005 Å
c	14.6348 ± 0.0007 Å
α	90°
β	110.532 ± 0.001°
γ	90°
Cell volume	1994.54 ± 0.17 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.053
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001629.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001629.cif
51852	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4001625, 4001626, 4001627, 4001628, 4001629 via cif-deposit CGI script.	4001629.cif