Crystallography Open Database

Information card for entry 1547683

Preview

Coordinates	1547683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H36 Br7 N12 Pb2
Calculated formula	C18 H36 Br7 N12 Pb2
SMILES	Br[Pb]12[Br][Pb]([Br]2)([Br]1)Br.[Br-].[Br-].C1[NH+]2CN3CN1CN(C2)C3.C1[NH+]2CN3CN1CN(C2)C3.C1[NH+]2CN3CN1CN(C2)C3
Title of publication	Bulk Assembly of Organic Metal Halide Nanotubes
Authors of publication	Lin, Haoran; Zhou, Chenkun; Tian, Yu; Besara, Tiglet; Neu, Jennifer; Siegrist, Theo; Zhou, Yan; Bullock, James; Schanze, Kirk; Ming, Wenmei; Du, Mao Hua; Ma, Biwu
Journal of publication	Chem. Sci.
Year of publication	2017
a	24.5149 ± 0.0006 Å
b	24.5149 ± 0.0006 Å
c	9.7646 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	5082.1 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for all reflections	0.0729
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.0634
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
202041 (current)	2017-10-17	cif/ Adding structures of 1547683 via cif-deposit CGI script.	1547683.cif