Crystallography Open Database

Information card for entry 7210797

Preview

Coordinates	7210797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 N3 Ni O8
Calculated formula	C24 H27 N3 Ni O8
Title of publication	Host‒guest chemistry of NiII coordination compounds with PDC and (py)2CO: reversible crystal-to-amorphous transformations induced by solvent exchange
Authors of publication	Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	25
Pages of publication	5134
a	8.5403 ± 0.0004 Å
b	10.9818 ± 0.0005 Å
c	14.1674 ± 0.0007 Å
α	105.113 ± 0.004°
β	102.302 ± 0.004°
γ	97.866 ± 0.004°
Cell volume	1226.97 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0909
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1804
Weighted residual factors for all reflections included in the refinement	0.1958
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180438 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/07.	7210797.cif
90125	2013-11-17	cif/ Adding structures of 7210795, 7210796, 7210797, 7210798 via cif-deposit CGI script.	7210797.cif