Crystallography Open Database

Information card for entry 4348472

Preview

Coordinates	4348472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H50 N Na Ni O13 Pt S5
Calculated formula	C28 H50 N Na Ni O13 Pt S5
SMILES	C1(O[Ni]234(N=C=S)OC(C)=[S][Pt]3([S]=1)([S]=C(O2)C)[S]=C(O4)C)C.[O]12CC[O]3CC[O]4[Na]56723([O](CC1)CC4)[O]1CC[O]5CC[O]6CC[O]7CC1.CC(=O)C
Title of publication	Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.
Authors of publication	Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	16
Pages of publication	8099 - 8109
a	14.4802 ± 0.0015 Å
b	30.199 ± 0.003 Å
c	27.641 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	12087 ± 2 Å³
Cell temperature	148 ± 2 K
Ambient diffraction temperature	148.15 K
Number of distinct elements	8
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1508
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
232975 (current)	2019-11-23	cif/ Adding structures of 4348468, 4348469, 4348470, 4348471, 4348472, 4348473, 4348474 via cif-deposit CGI script.	4348472.cif