Crystallography Open Database

Information card for entry 4339552

Preview

Coordinates	4339552.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tetraaquanickel(II) 5,10-dioxo-5,10-dihydro-4,9-dioxa-pyrene-2,7-dicarboxylate
Formula	C16 H12 Ni O12
Calculated formula	C16 H12 Ni O12
Title of publication	Two coordination polymers created via in situ ligand synthesis involving C-N and C-C bond formation.
Authors of publication	Feller, Russell K.; Forster, Paul M.; Wudl, Fred; Cheetham, Anthony K.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	21
Pages of publication	8717 - 8721
a	5.011 ± 0.003 Å
b	6.526 ± 0.003 Å
c	12.305 ± 0.007 Å
α	76.868 ± 0.008°
β	84.988 ± 0.008°
γ	87.619 ± 0.008°
Cell volume	390.3 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
179498 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/95.	4339552.cif
117383	2014-06-14	cif/ Adding structures of 4339551, 4339552 via cif-deposit CGI script.	4339552.cif