Crystallography Open Database

Information card for entry 7207476

7207475 << 7207476 >> 7207477

Preview

Coordinates	7207476.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tetrakis(1,7-diammoniumheptane)dodecaiodotriplumbate(II) diiodide
Formula	C28 H80 I14 N8 Pb3
Calculated formula	C28 H80 I14 N8 Pb3
Title of publication	Lead halide inorganic‒organic hybrids incorporating diammonium cations
Authors of publication	Lemmerer, Andreas; Billing, David G.
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	6
Pages of publication	1954
a	11.639 ± 0.003 Å
b	11.877 ± 0.003 Å
c	13.828 ± 0.003 Å
α	68.68 ± 0.005°
β	71.022 ± 0.005°
γ	86.892 ± 0.004°
Cell volume	1679.5 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
180405 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/74.	7207476.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207476.cif
37653	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7207474, 7207475, 7207476, 7207477, 7207478, 7207479, 7207480, 7207481, 7207482 via cif-deposit CGI script.	7207476.cif