Crystallography Open Database

Information card for entry 4503008

Preview

Coordinates	4503008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H12 N2 Ni O7
Calculated formula	C9 H7 N2 Ni O7
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	26.1792 ± 0.0015 Å
b	6.64 ± 0.0004 Å
c	7.6702 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1333.31 ± 0.14 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	0.0618
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	1.221
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
179561 (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 4/50/30.	4503008.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503008.cif
37819	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4503007, 4503008, 4503009, 4503010 via cif-deposit CGI script.	4503008.cif