Crystallography Open Database

Information card for entry 7712976

Preview

Coordinates	7712976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H24 B2 Cl6 F4 N4 O3
Calculated formula	C40 H24 B2 Cl6 F4 N4 O3
Title of publication	2-Hydroxyphenyl Benzimidazoles and their Boron Complexes: Synthesis, Structure, Aggregation-Induced Emission and Picric acid Sensing
Authors of publication	Arumugam, Ramar; Nayak, Prakash; Dey, Bijoy; Kannan, Ramkumar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli
Journal of publication	Dalton Transactions
Year of publication	2023
a	23.0413 ± 0.0008 Å
b	16.8362 ± 0.0007 Å
c	10.3975 ± 0.0004 Å
α	90°
β	97.843 ± 0.004°
γ	90°
Cell volume	3995.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0871
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.2226
Weighted residual factors for all reflections included in the refinement	0.2326
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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