Crystallography Open Database

Information card for entry 7704087

Preview

Coordinates	7704087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H36 Bi Cl3 I6 N6
Calculated formula	C6 H36 Bi Cl3 I6 N6
Title of publication	Zero-dimensional hybrid iodobismuthate derivatives: from structure study to photovoltaic application.
Authors of publication	Zhang, Yi; Fadaei Tirani, Farzaneh; Pattison, Philip; Schenk-Joß, Kurt; Xiao, Zewen; Nazeeruddin, Mohammad Khaja; Gao, Peng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	18
Pages of publication	5815 - 5822
a	18.94284 ± 0.00014 Å
b	18.83413 ± 0.00012 Å
c	9.13917 ± 0.00006 Å
α	90°
β	90°
γ	90°
Cell volume	3260.6 ± 0.04 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	67
Hermann-Mauguin space group symbol	C m m a
Hall space group symbol	-C 2a 2
Residual factor for all reflections	0.0217
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.0589
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6935 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
252804 (current)	2020-06-05	cif/ Updating files of 7704084, 7704085, 7704086, 7704087 Original log message: Adding full bibliography for 7704084--7704087.cif.	7704087.cif
250834	2020-04-16	cif/ Adding structures of 7704084, 7704085, 7704086, 7704087 via cif-deposit CGI script.	7704087.cif