Crystallography Open Database

Information card for entry 7200640

7200639 << 7200640 >> 7200641

Preview

Coordinates	7200640.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	heptadecakis(cycloheptylammonium)hentriacontachloroheptaplumba te(ii) dihydrate
Chemical name	heptadecakis(cycloheptylammonium)hentriacontachloroheptaplumbate(II) dihydrate
Formula	C119 H276 Cl31 N17 O2 Pb7
Calculated formula	C119 H276 Cl31 N17 O2 Pb7
Title of publication	Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series
Authors of publication	Billing, David G.; Lemmerer, Andreas
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	8
Pages of publication	1549
a	12.7667 ± 0.0015 Å
b	46.043 ± 0.005 Å
c	14.9592 ± 0.0015 Å
α	90°
β	94.385 ± 0.005°
γ	90°
Cell volume	8767.5 ± 1.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	0.933
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
180337 (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 7/20/06.	7200640.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200640.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200640.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7200640.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200640.cif