Crystallography Open Database

Information card for entry 7706033

Preview

Coordinates	7706033.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	NRN-174
Formula	C22 H36 N4 P2 Se2
Calculated formula	C22 H36 N4 P2 Se2
Title of publication	A rigid anionic Janus bis(NHC) - new opportunities in NHC chemistry.
Authors of publication	Naz, Nabila Rauf; Schnakenburg, Gregor; Kelemen, Zsolt; Gál, Dalma; Nyulászi, László; Boeré, René T; Streubel, Rainer
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	2
Pages of publication	689 - 695
a	9.5787 ± 0.0005 Å
b	24.9549 ± 0.0012 Å
c	12.3331 ± 0.0006 Å
α	90°
β	96.935 ± 0.002°
γ	90°
Cell volume	2926.5 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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