Crystallography Open Database

Information card for entry 7063710

Preview

Coordinates	7063710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H62 B N5 O2
Calculated formula	C54 H62 B N5 O2
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
a	14.8209 ± 0.0003 Å
b	16.0372 ± 0.0004 Å
c	20.9525 ± 0.0005 Å
α	104.236 ± 0.002°
β	109.15 ± 0.002°
γ	95.378 ± 0.0018°
Cell volume	4476.6 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1137
Residual factor for significantly intense reflections	0.0913
Weighted residual factors for significantly intense reflections	0.2314
Weighted residual factors for all reflections included in the refinement	0.2486
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298494 (current)	2025-03-18	cif/ Adding structures of 7063704, 7063705, 7063706, 7063707, 7063708, 7063709, 7063710 via cif-deposit CGI script.	7063710.cif