Crystallography Open Database

Information card for entry 7224044

Preview

Coordinates	7224044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H60 Cl4 Mn O4 P4 Zn
Calculated formula	C72 H60 Cl4 Mn O4 P4 Zn
Title of publication	A new potential nonlinear optical hybrid semi-organic crystal of ZnMnCl4(TPPO)4with attractive physical properties
Authors of publication	Liu, Xiaolong; Wang, Guangqiang; Dang, Yangyang; Zhang, Shaojun; Tian, Hanlin; Ren, Yan; Tao, Xutang
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	10
Pages of publication	1818
a	20.7414 ± 0.0014 Å
b	32.981 ± 0.002 Å
c	9.7539 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	6672.4 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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