Crystallography Open Database

Information card for entry 7249071

Preview

Coordinates	7249071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.847 H1.424 Br0.271 N0.203
Calculated formula	C2.84746 H1.42373 Br0.271186 N0.20339
Title of publication	Hybridization of short-range and long-range charge transfer boosts room-temperature phosphorescence performance
Authors of publication	Li, Tian-Miao; Hu, Li-Yuan; Zou, Xin; Wang, Jun-Yi; Ni, Sheng; Liu, Lei; Xiao, Xunwen; Luo, Xu-Feng
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	31
Pages of publication	22763 - 22768
a	8.565 ± 0.003 Å
b	15.216 ± 0.006 Å
c	30.113 ± 0.011 Å
α	90°
β	90°
γ	103.425 ± 0.009°
Cell volume	3817 ± 2 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3125
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.2066
Goodness-of-fit parameter for all reflections included in the refinement	0.9919
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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