Crystallography Open Database

Information card for entry 4337477

Preview

Coordinates	4337477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H192 Bi4 N12 O24
Calculated formula	C94 H192 Bi4 N12 O24
Title of publication	Synthesis and materials chemistry of bismuth tris-(di-i-propylcarbamate): deposition of photoactive Bi2O3 thin films.
Authors of publication	Cosham, Samuel D.; Hill, Michael S.; Horley, Graeme A.; Johnson, Andrew L.; Jordan, Laura; Molloy, Kieran C.; Stanton, David C.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	1
Pages of publication	503 - 511
a	19.5893 ± 0.0001 Å
b	19.5893 ± 0.0001 Å
c	15.6809 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	6017.4 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0546
Weighted residual factors for all reflections included in the refinement	0.0572
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
179477 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/74.	4337477.cif
106402	2014-03-15	cif/ Adding structures of 4337477, 4337478 via cif-deposit CGI script.	4337477.cif