Crystallography Open Database

Information card for entry 7200814

7200813 << 7200814 >> 7200815

Preview

Coordinates	7200814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H28 Fe N2 O6
Calculated formula	C29 H28 Fe N2 O6
Title of publication	Spontaneous resolution of chiral metal mandelates by stereochemical control
Authors of publication	Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	6
Pages of publication	967
a	11.6431 ± 0.0012 Å
b	11.6431 ± 0.0012 Å
c	32.956 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	3869 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.0875
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1676
Weighted residual factors for all reflections included in the refinement	0.1793
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7200814.html