Crystallography Open Database

Information card for entry 7031554

Preview

Coordinates	7031554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H80 I18 N8 Pb5
Calculated formula	C28 H80 I18 N8 Pb5
Title of publication	Hydrogen bonds and steric effects induced structural modulation of three layered iodoplumbate hybrids from nonperovskite to perovskite structure.
Authors of publication	Yu, Tanlai; Zhang, Lin; Shen, Junju; Fu, Yangbo; Fu, Yunlong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	34
Pages of publication	13115
a	8.7958 ± 0.0003 Å
b	12.3844 ± 0.0006 Å
c	18.7377 ± 0.001 Å
α	85.377 ± 0.004°
β	88.212 ± 0.003°
γ	78.755 ± 0.004°
Cell volume	1995.16 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0562
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
180021 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/15.	7031554.cif
121687	2014-08-08	cif/ Updating files of 7031553, 7031554, 7031555 Original log message: Adding full bibliography for 7031553--7031555.cif.	7031554.cif
118932	2014-07-03	cif/ Adding structures of 7031553, 7031554, 7031555 via cif-deposit CGI script.	7031554.cif