Crystallography Open Database

Information card for entry 7004123

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Coordinates	7004123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 B2 N2
Calculated formula	C26 H24 B2 N2
Title of publication	Tuning the electronic properties of cyclopentadienyl analogs with CB2N2 frameworks: 1,2-diphenyl-1,2-diaza-3,5-diborolyl ligands and their alkali metal salts
Authors of publication	Ly, Hanh V.; Konu, Jari; Parvez, Masood; Roesler, Roland
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	26
Pages of publication	3454 - 3460
a	9.274 ± 0.005 Å
b	10.117 ± 0.007 Å
c	12.837 ± 0.008 Å
α	106.43 ± 0.03°
β	91.33 ± 0.03°
γ	110.43 ± 0.03°
Cell volume	1072.6 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0871
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1591
Weighted residual factors for all reflections included in the refinement	0.1801
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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