Crystallography Open Database

Information card for entry 7029245

Preview

Coordinates	7029245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H72 Gd N7 Ni2 O15
Calculated formula	C84 H72 Gd N7 Ni2 O15
Title of publication	Synthesis and magnetothermal properties of a ferromagnetically coupled Ni(II)-Gd(III)-Ni(II) cluster.
Authors of publication	Upadhyay, Apoorva; Komatireddy, Navatha; Ghirri, Alberto; Tuna, Floriana; Langley, Stuart K.; Srivastava, Anant K.; Sañudo, E Carolina; Moubaraki, Boujemaa; Murray, Keith S.; McInnes, Eric J. L.; Affronte, Marco; Shanmugam, Maheswaran
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	1
Pages of publication	259 - 266
a	22.825 ± 0.0018 Å
b	23.459 ± 0.0018 Å
c	18.676 ± 0.0014 Å
α	90°
β	120.296 ± 0.002°
γ	90°
Cell volume	8634.4 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179998 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/92.	7029245.cif
105555	2014-03-12	cif/ Adding structures of 7029245 via cif-deposit CGI script.	7029245.cif