Crystallography Open Database

Information card for entry 1565900

Preview

Coordinates	1565900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H8 Cl N
Calculated formula	C13 H8 Cl N
Title of publication	Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives
Authors of publication	Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2021
Journal volume	125
Journal issue	49
Pages of publication	27489 - 27496
a	3.7723 ± 0.0002 Å
b	11.1607 ± 0.0006 Å
c	12.1361 ± 0.0007 Å
α	90°
β	94.841 ± 0.002°
γ	90°
Cell volume	509.13 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.174
Weighted residual factors for all reflections included in the refinement	0.1752
Goodness-of-fit parameter for all reflections included in the refinement	1.186
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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