Crystallography Open Database

Information card for entry 7121027

Preview

Coordinates	7121027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H44 N2 Ni P2
Calculated formula	C40 H44 N2 Ni P2
SMILES	[Ni]123([P]4(N(C)C)C5c6ccccc6C4c4ccccc54)([P]4(N(C)C)C5c6ccccc6C4c4ccccc54)[CH]4CC[CH]1=[CH]2CC[CH]3=4
Title of publication	Mild electrochemical synthesis of metal phosphides with dibenzo-7-phosphanorbornadiene derivatives: mechanistic insights and application to proton reduction in water.
Authors of publication	Shida, Naoki; Buss, Joshua A.; Agapie, Theodor
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	7
Pages of publication	767 - 770
a	10.1578 ± 0.0005 Å
b	12.6891 ± 0.0007 Å
c	13.5459 ± 0.0007 Å
α	101.964 ± 0.002°
β	90.747 ± 0.002°
γ	105.179 ± 0.002°
Cell volume	1644.27 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0656
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228400 (current)	2019-11-17	cif/ Updating files of 7121026, 7121027, 7121028 Original log message: Adding full bibliography for 7121026--7121028.cif.	7121027.cif
204431	2017-12-21	cif/ Adding structures of 7121026, 7121027, 7121028 via cif-deposit CGI script.	7121027.cif