Crystallography Open Database

Information card for entry 1570928

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Coordinates	1570928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Br3 Cu2 N
Calculated formula	C4 H12 Br3 Cu2 N
Title of publication	Excitonic cuprophilic interactions in one-dimensional hybrid organic-inorganic crystals.
Authors of publication	Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	11
Pages of publication	4075 - 4085
a	16.359 ± 0.003 Å
b	6.5479 ± 0.0011 Å
c	9.5918 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1027.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	0.86
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
290853 (current)	2024-04-05	cif/ Updating files of 1570928, 1570929 Original log message: Adding full bibliography for 1570928--1570929.cif.	1570928.cif
289711	2024-02-06	cif/ Adding structures of 1570928, 1570929 via cif-deposit CGI script.	1570928.cif