Crystallography Open Database

Information card for entry 4508041

Preview

Coordinates	4508041.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Olanzapinium dimaleate monofumaric acid
Formula	C29 H32 N4 O12 S
Calculated formula	C29 H32 N4 O12 S
Title of publication	Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties
Authors of publication	Thakuria, Ranjit; Nangia, Ashwini
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	8
Pages of publication	3672
a	8.805 ± 0.006 Å
b	9.634 ± 0.006 Å
c	19.461 ± 0.012 Å
α	88.035 ± 0.011°
β	83.349 ± 0.011°
γ	74.023 ± 0.011°
Cell volume	1576.4 ± 1.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1467
Residual factor for significantly intense reflections	0.0972
Weighted residual factors for significantly intense reflections	0.1964
Weighted residual factors for all reflections included in the refinement	0.223
Goodness-of-fit parameter for all reflections included in the refinement	1.19
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4508041.cif
87783	2013-08-27	cif/ Adding structures of 4508041 via cif-deposit CGI script.	4508041.cif