Crystallography Open Database

Information card for entry 7063708

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Coordinates	7063708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H160 B3 N15 O10
Calculated formula	C148 H160 B3 N15 O10
Title of publication	Exploring tetra-coordinate bis-guanidinate-supported boron complexes: synthesis, characterization, and photophysical properties
Authors of publication	Rajput, Sagrika; M. T., Nithya; Dhala, Sasmita; Venkatasubbaiah, Krishnan; Nembenna, Sharanappa
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	16
Pages of publication	6731 - 6740
a	20.7642 ± 0.0006 Å
b	17.1299 ± 0.0003 Å
c	21.1867 ± 0.0006 Å
α	90°
β	115.055 ± 0.003°
γ	90°
Cell volume	6826.8 ± 0.3 Å³
Cell temperature	99.99 ± 0.11 K
Ambient diffraction temperature	99.99 ± 0.11 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1843
Weighted residual factors for all reflections included in the refinement	0.1921
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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