Crystallography Open Database

Information card for entry 7226073

Preview

Coordinates	7226073.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Na2Cr3]n
Chemical name	complex 5
Formula	C36 H39 Cr3 N6 Na3 O19
Calculated formula	C36 H39 Cr3 N6 Na3 O19
SMILES	c12c(cccc2)C(C)=[N]2O[Cr]3456[O]7[Cr]82(O1)(O[N]1=C(c2c(cccc2)O[Cr]71(O[N]3=C(c1c(cccc1)O4)C)([O]=C(C)O6)[O]=C(C)O8)C)[O]=C(C)O5.N#CC.O.O.[Na+].N#CC.N#CC.O.O.O.O.[Na+].[Na+]
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	15.5335 ± 0.0005 Å
b	15.5335 ± 0.0005 Å
c	36.608 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	7649.7 ± 0.5 Å³
Cell temperature	150 ± 3 K
Ambient diffraction temperature	150 ± 3 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1304
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation wavelength	0.7107 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.	7226073.cif