Crystallography Open Database

Information card for entry 4503010

Preview

Coordinates	4503010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 N Ni O6
Calculated formula	C10 H8 N Ni O6
Title of publication	Chiral Porous Metal‒Organic Frameworks of Co(II) and Ni(II): Synthesis, Structure, Magnetic Properties, and CO2Uptake
Authors of publication	Nagaraja, C. M.; Haldar, Ritesh; Maji, Tapas Kumar; Rao, C. N. R.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	2
Pages of publication	975
a	26.9967 ± 0.0009 Å
b	6.6856 ± 0.0002 Å
c	7.6377 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1378.52 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0835
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.2581
Weighted residual factors for all reflections included in the refinement	0.2599
Goodness-of-fit parameter for all reflections included in the refinement	1.306
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4503010.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503010.cif
37819	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4503007, 4503008, 4503009, 4503010 via cif-deposit CGI script.	4503010.cif