Crystallography Open Database

Information card for entry 7250858

Preview

Coordinates	7250858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H31 B N2
Calculated formula	C36 H31 B N2
Title of publication	Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene
Authors of publication	Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	40
Pages of publication	33531 - 33535
a	11.5542 ± 0.0008 Å
b	10.6145 ± 0.0009 Å
c	23.5906 ± 0.0017 Å
α	90°
β	102.906 ± 0.005°
γ	90°
Cell volume	2820.1 ± 0.4 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1676
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.1753
Weighted residual factors for all reflections included in the refinement	0.2452
Goodness-of-fit parameter for all reflections included in the refinement	0.934
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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