Crystallography Open Database

Information card for entry 7226076

Preview

Coordinates	7226076.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Na3Cr6]-4
Chemical name	complex 4
Formula	C62 H66 Cr6 N7 Na3 O27
Calculated formula	C62 H63 Cr6 N7 Na3 O27
Title of publication	Solvothermal Synthesis of Discrete Cages and Extended Networks Comprising {Cr(III)3O(O2CR)3(oxime)3}2- (R = H, CH3, C(CH3)3, C14H9) Building Blocks.
Authors of publication	Jones, Leigh Fon; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; G. Ryder, Alan; Piligkos, Stergios; Brechin, Euan K.; Houton, Edel
Journal of publication	RSC Adv.
Year of publication	2016
a	26.3193 ± 0.0011 Å
b	13.1295 ± 0.0005 Å
c	22.7708 ± 0.0012 Å
α	90°
β	113.736 ± 0.005°
γ	90°
Cell volume	7203 ± 0.6 Å³
Cell temperature	149.8 ± 0.3 K
Ambient diffraction temperature	149.8 ± 0.3 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0793
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
184718 (current)	2016-07-29	cif/ Adding structures of 7226072, 7226073, 7226074, 7226075, 7226076 via cif-deposit CGI script.	7226076.cif