Crystallography Open Database

Information card for entry 1512758

Preview

Coordinates	1512758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 N2 Ni2 O12
Calculated formula	C18 H16 N2 Ni2 O12
Title of publication	Synthesis and characterization of expected and unexpected topologies of homochiral porous metal(II) malate frameworks
Authors of publication	Maxim P. Yutkin; Marina S. Zavakhina; Denis G. Samsonenko; Danil N. Dybtsev; Vladimir P. Fedin
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	367 - 372
a	22.186 ± 0.001 Å
b	6.731 ± 0.001 Å
c	7.575 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1131.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1578
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.85 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512758.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512758.cif
90834	2013-11-19	cif/ Adding structures of 1512758 via cif-deposit CGI script.	1512758.cif