Crystallography Open Database

Information card for entry 1550731

Preview

Coordinates	1550731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H115 K3 N8 O18 Rh Sn10
Calculated formula	C56 H116 K3 N8 O18 Rh Sn10
SMILES	[Sn]12[Sn]34[Sn]56[Sn]78[Sn]9%10[Sn]%111[Sn]13[Sn]35[Sn]57[Sn]9[Rh]2468%10%11135.[K]1234567[O]8CC[N]19CC[O]2CC[O]3CC[N]4(CC[O]5CC[O]6CC9)CC[O]7CC8.[K]1234567[O]8CC[N]19CC[O]2CC[O]3CC[N]4(CC[O]5CC[O]6CC9)CC[O]7CC8.[K]1234567[O]8CC[N]19CC[O]2CC[O]3CC[N]4(CC[O]5CC[O]6CC9)CC[O]7CC8.NCCN
Title of publication	Synthesis and Structure of a Family of Rhodium Polystannide Clusters [Rh@Sn10]3‒, [Rh@Sn12]3‒, [Rh2@Sn17]6‒ and the First Triply-Fused Stannide, [Rh3@Sn24]5‒
Authors of publication	Liu, Chao; Jin, Xiao; Li, Leijiao; Xu, Jun; McGrady, John E.; Sun, Zhong-Ming
Journal of publication	Chemical Science
Year of publication	2019
a	15.142 ± 0.003 Å
b	15.879 ± 0.004 Å
c	19.18 ± 0.005 Å
α	81.348 ± 0.005°
β	87.147 ± 0.004°
γ	74.041 ± 0.005°
Cell volume	4383.3 ± 1.8 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1032
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1831
Weighted residual factors for all reflections included in the refinement	0.2052
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
214073 (current)	2019-03-12	cif/ Adding structures of 1550730, 1550731, 1550732, 1550733, 1550734 via cif-deposit CGI script.	1550731.cif