Crystallography Open Database

Information card for entry 4517996

Preview

Coordinates	4517996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H99 B Fe Mo N11 O P Si3
Calculated formula	C52 H99 B Fe Mo N11 O 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	10.1184 ± 0.0006 Å
b	15.462 ± 0.0008 Å
c	21.5377 ± 0.001 Å
α	71.492 ± 0.002°
β	78.041 ± 0.002°
γ	81.087 ± 0.002°
Cell volume	3111.5 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.1333
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for all reflections	0.2009
Weighted residual factors for significantly intense reflections	0.1655
Weighted residual factors for all reflections included in the refinement	0.2009
Goodness-of-fit parameter for all reflections included in the refinement	0.971
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.	4517996.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.	4517996.cif