Crystallography Open Database

Information card for entry 1558868

Preview

Coordinates	1558868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H24 Mg N2 O14
Calculated formula	C12 H24 Mg N2 O14
SMILES	c1(ccc(cc1)N(=O)=O)[O-].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.c1(ccc(cc1)N(=O)=O)[O-].O
Title of publication	Accelerated Reduction of 4-Nitrophenol: Bridging Interaction Outplays Reducing Power in the Model Nanoparticle-Catalyzed Reaction
Authors of publication	Shirin, Shana; Roy, Soumendu; Rao, Anish; Pillai, Pramod P.
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2020
Journal volume	124
Journal issue	35
Pages of publication	19157 - 19165
a	12.3698 ± 0.0015 Å
b	6.6167 ± 0.0008 Å
c	11.7758 ± 0.0014 Å
α	90°
β	93.553 ± 0.003°
γ	90°
Cell volume	962 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1128
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257158 (current)	2020-10-04	cif/ Updating files of 1558868, 1558869 Original log message: Adding full bibliography for 1558868--1558869.cif.	1558868.cif
255877	2020-09-04	cif/ Updating files of 1558868, 1558869 Original log message: Adding full bibliography for 1558868--1558869.cif.	1558868.cif
255454	2020-08-20	cif/ Adding structures of 1558868 via cif-deposit CGI script.	1558868.cif