Crystallography Open Database

Information card for entry 4518001

Preview

Coordinates	4518001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H144.01 B Fe Mo N14 O0.5 P Si3
Calculated formula	C75.002 H144.008 B Fe Mo N14 O0.498 P Si3
Title of publication	Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.
Authors of publication	Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.
Journal of publication	ACS central science
Year of publication	2020
Journal volume	6
Journal issue	9
Pages of publication	1572 - 1577
a	15.5829 ± 0.0006 Å
b	15.7156 ± 0.0007 Å
c	20.1841 ± 0.0009 Å
α	90.527 ± 0.001°
β	102.106 ± 0.001°
γ	114.566 ± 0.001°
Cell volume	4369.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0979
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1754
Weighted residual factors for all reflections included in the refinement	0.199
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257061 (current)	2020-10-04	cif/ Updating files of 4517996, 4517997, 4517998, 4517999, 4518000, 4518001, 4518002, 4518003, 4518004, 4518005, 4518006, 4518007, 4518008, 4518009, 4518010 Original log message: Adding full bibliography for 4517996--4518010.cif.	4518001.cif
255830	2020-09-04	cif/ Adding structures of 4517996, 4517997, 4517998, 4517999, 4518000, 4518001, 4518002, 4518003, 4518004, 4518005, 4518006, 4518007, 4518008, 4518009, 4518010 via cif-deposit CGI script.	4518001.cif